Affiliation:
1. State Key Laboratory of Crystal Materials Shandong University Jinan 250100 P. R. China
2. School of Chemistry and Materials Science University of Science and Technology of China Hefei, Anhui 230026 China
3. School of Physics Shandong University Jinan 250100 P. R. China
Abstract
AbstractPhotocatalytic ozonation is considered to be a promising approach for the treatment of refractory organic pollutants, but the design of efficient catalyst remains a challenge. Surface modification provides a potential strategy to improve the activity of photocatalytic ozonation. In this work, density functional theory (DFT) calculations were first performed to check the interaction between O3 and TiO2−OH (surface hydroxylated TiO2) or TiO2−F (surface fluorinated TiO2), and the results suggest that TiO2−OH displays better O3 adsorption and activation than does TiO2−F, which is confirmed by experimental results. The surface hydroxyl groups greatly promote the O3 activation, which is beneficial for the generation of reactive oxygen species (ROS). Importantly, TiO2−OH displays better performance towards pollutants (such as berberine hydrochloride) removal than does TiO2−F and most reported ozonation photocatalysts. The total organic carbon (TOC) removal efficiency reaches 84.4 % within two hours. This work highlights the effect of surface hydroxylation on photocatalytic ozonation and provides ideas for the design of efficient photocatalytic ozonation catalysts.
Funder
National Key Research and Development Program of China
National Natural Science Foundation of China
Natural Science Foundation of Shandong Province